2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide

C20H26BrN3O5 — CID 5037359

IUPAC2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1coc(CN(CCCOC)C(=O)c2ccccc2Br)n1
InChIInChI=1S/C20H26BrN3O5/c1-27-11-5-9-22-19(25)17-14-29-18(23-17)13-24(10-6-12-28-2)20(26)15-7-3-4-8-16(15)21/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,22,25)
InChIKeyBPDBCZPKJZFYCC-UHFFFAOYSA-N
MW468.35 g/mol
LogP2.88
Rot. Bonds12

About 2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide

2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide (PubChem CID 5037359) has the molecular formula C20H26BrN3O5 and a molecular weight of 468.35 g/mol. Its IUPAC name is 2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
PubChem CID5037359
Molecular FormulaC20H26BrN3O5
Molecular Weight468.35 g/mol
Exact Mass467.11
IUPAC Name2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1coc(CN(CCCOC)C(=O)c2ccccc2Br)n1
InChIInChI=1S/C20H26BrN3O5/c1-27-11-5-9-22-19(25)17-14-29-18(23-17)13-24(10-6-12-28-2)20(26)15-7-3-4-8-16(15)21/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,22,25)
InChIKeyBPDBCZPKJZFYCC-UHFFFAOYSA-N
XLogP2.88
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-[[3-methoxypropyl-(2-phenylacetyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3454944
2-[[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]methyl]-N-(3-ethoxypropyl)-1,3-oxazole-4-carboxamide
CID 3436571
2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 4567958
N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 7271474
methyl 2-[[3-methoxypropyl(naphthalene-1-carbonyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5041718
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(4-pentylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4690718
2-[[(3-methoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 3945915
2-[[(2-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3891590
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl(phenylcarbamoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3920716
2-[[(4-chloro-3-nitrobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 42766204
ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate
CID 3624648
methyl 2-[[furan-2-carbonyl(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5039854

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide (CID 5037359) is 2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide is COCCCNC(=O)c1coc(CN(CCCOC)C(=O)c2ccccc2Br)n1.
What is the InChIKey of 2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is BPDBCZPKJZFYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3O5/c1-27-11-5-9-22-19(25)17-14-29-18(23-17)13-24(10-6-12-28-2)20(26)15-7-3-4-8-16(15)21/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide?
2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 468.35 g/mol, XLogP of 2.88, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5037359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).